3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione

C24H16N2O3 — CID 15403565

IUPAC3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H16N2O3/c1-29-17-13-11-15(12-14-17)21-20-22(26(25-21)16-7-3-2-4-8-16)24(28)19-10-6-5-9-18(19)23(20)27/h2-14H,1H3
InChIKeyWMWNMDYUCOJSGR-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.32
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione

3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione (PubChem CID 15403565) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione
PubChem CID15403565
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H16N2O3/c1-29-17-13-11-15(12-14-17)21-20-22(26(25-21)16-7-3-2-4-8-16)24(28)19-10-6-5-9-18(19)23(20)27/h2-14H,1H3
InChIKeyWMWNMDYUCOJSGR-UHFFFAOYSA-N
XLogP4.32
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-(3-Methoxy-4-phenylphenyl)benzo[f]benzotriazole-4,9-dione
CID 156011004
3-[4-(3-Methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione
CID 156022178
1-(4-Methoxyphenyl)-7-[(naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxaldehyde
CID 20094648
Indenopyrazole 3g
CID 5329734
1-[3,5-Difluoro-4-(2-fluorophenyl)phenyl]-6-methoxybenzo[f]benzotriazole-4,9-dione
CID 156019106
3-(4-Tert-butylphenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 56835114
3-(4-Methoxyphenyl)-1-phenylbenzo[f]indole-4,9-dione
CID 145954125
3-(4-Methoxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
CID 4080632
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-methyl-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 172453108
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-methyl-1-(4-methylphenyl)pyrazol-4-yl]prop-2-en-1-one
CID 172461417
2-[(7S)-3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-7H-indazol-7-yl]-N-(2-methylphenyl)acetamide
CID 98312566
4-[7-Methoxy-3-(trifluoromethyl)-4,5-dihydrobenzo[g]indazol-1-yl]benzoic acid
CID 69535399

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione (CID 15403565) is 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione is COc1ccc(-c2nn(-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione?
The InChIKey is WMWNMDYUCOJSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3/c1-29-17-13-11-15(12-14-17)21-20-22(26(25-21)16-7-3-2-4-8-16)24(28)19-10-6-5-9-18(19)23(20)27/h2-14H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione?
3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione has a molecular weight of 380.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenylbenzo[f]indazole-4,9-dione is sourced from PubChem (CID 15403565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).